Er2Ge5Rh3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-984743 · Space group: C2/c (#15)

Materials Project API

Basic Information

Formula

Er2Ge5Rh3

MP-ID

mp-984743

Elements

Sites

Density

9.5712

g/cm³

Volume

349.22

Å³

Cell a

8.2558

Cell b

8.2558

Cell c

5.8198

α Angle

71.32

β Angle

71.32

γ Angle

94.11

Space Group

C2/c

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
22.72	3.9140	4.5	(1,-1,1)
23.19	3.8361	2.3	(2,0,0)
23.36	3.8073	4.1	(2,0,1)
23.83	3.7333	8.7	(2,-1,0)
27.95	3.1922	1.2	(2,1,0)
29.56	3.0217	21.5	(2,-2,0)
30.77	2.9057	20.3	(1,1,2)
32.03	2.7942	1.5	(2,-1,-1)
32.50	2.7554	2.5	(1,0,2)
32.97	2.7166	2.1	(3,0,1)
33.42	2.6809	8.1	(2,1,2)
33.86	2.6471	54.9	(2,0,-1)
34.24	2.6188	2.1	(2,0,2)
34.43	2.6045	4.3	(2,-2,1)
34.76	2.5812	77.0	(3,-1,0)
34.88	2.5723	7.8	(3,-1,1)
34.93	2.5684	64.1	(0,0,2)
35.09	2.5574	8.0	(3,0,0)
35.20	2.5495	63.5	(3,1,1)
36.19	2.4823	16.7	(2,2,0)
36.66	2.4512	37.3	(2,2,2)
38.32	2.3488	4.2	(3,-2,0)
38.89	2.3157	5.3	(2,-1,2)
39.41	2.2862	12.4	(2,1,-1)

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Energy Properties

Formation Energy/atom

-0.76007

eV/atom

Energy/atom

-6.19442

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.7739

eV/atom

Volume/atom

17.46

Å³

c/a Ratio

0.7049

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0160

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000050

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0297

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.5605

J/mol·K

Ω Parameter

10.8605

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.836%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3676

smaller = more stable mixing

VEC

7.100

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.290

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9372

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.480

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.500

Related Tasks

Related computation task IDs (5)

aaadpeqy aaadrixl aaaetnrk aaafocmj aaafzzpq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-984743

Reference Citation

The crystal structure and related material properties of Er2Ge5Rh3 were obtained from the Materials Project database (MP-ID: mp-984743, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

3D Crystal Structure Rendering

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Er2Ge5Rh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25582612
_cell_length_b   8.25582612
_cell_length_c   5.81978633
_cell_angle_alpha   71.32334772
_cell_angle_beta   71.32334772
_cell_angle_gamma   94.11162428
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2Ge5Rh3
_chemical_formula_sum   'Er4 Ge10 Rh6'
_cell_volume   349.21811906
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Er  Er0  1  0.86921692  0.59032649  0.26525019  1.0
  Er  Er1  1  0.40967351  0.13078308  0.23474981  1.0
  Er  Er2  1  0.13078308  0.40967351  0.73474981  1.0
  Er  Er3  1  0.59032649  0.86921692  0.76525019  1.0
  Ge  Ge4  1  0.26477351  0.07448586  0.83198572  1.0
  Ge  Ge5  1  0.20740395  0.79259605  0.25000000  1.0
  Ge  Ge6  1  0.79259605  0.20740395  0.75000000  1.0
  Ge  Ge7  1  0.51251559  0.48748441  0.25000000  1.0
  Ge  Ge8  1  0.48748441  0.51251559  0.75000000  1.0
  Ge  Ge9  1  0.77838715  0.22161285  0.25000000  1.0
  Ge  Ge10  1  0.22161285  0.77838715  0.75000000  1.0
  Ge  Ge11  1  0.07448586  0.26477351  0.33198572  1.0
  Ge  Ge12  1  0.73522649  0.92551414  0.16801428  1.0
  Ge  Ge13  1  0.92551414  0.73522649  0.66801428  1.0
  Rh  Rh14  1  0.00214637  0.99785363  0.25000000  1.0
  Rh  Rh15  1  0.99785363  0.00214637  0.75000000  1.0
  Rh  Rh16  1  0.26017307  0.54476759  0.12413182  1.0
  Rh  Rh17  1  0.45523241  0.73982693  0.37586818  1.0
  Rh  Rh18  1  0.73982693  0.45523241  0.87586818  1.0
  Rh  Rh19  1  0.54476759  0.26017307  0.62413182  1.0

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